3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione

C13H17N3O2S — CID 55239012

IUPAC3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCc2scnc2C)c1=O
InChIInChI=1S/C13H17N3O2S/c1-3-6-15-7-5-12(17)16(13(15)18)8-4-11-10(2)14-9-19-11/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyOSQXPAUBAXTOIU-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.43
Rot. Bonds5

About 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione

3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione (PubChem CID 55239012) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione
PubChem CID55239012
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCc2scnc2C)c1=O
InChIInChI=1S/C13H17N3O2S/c1-3-6-15-7-5-12(17)16(13(15)18)8-4-11-10(2)14-9-19-11/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyOSQXPAUBAXTOIU-UHFFFAOYSA-N
XLogP1.43
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione (CID 55239012) is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCc2scnc2C)c1=O.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is OSQXPAUBAXTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-6-15-7-5-12(17)16(13(15)18)8-4-11-10(2)14-9-19-11/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione?
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 279.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 55239012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).